Chemical ID: 4815788

CCOC(=O)c1c(n(c(=S)s1)C)NC(=O)c2ccccc2C
Chemical ID:
4815788
Name [?]:
ethyl 3-methyl-4-(2-methylbenzoyl)amino-2-thioxo-thiazole-5-carboxylate
SMILES [?]:
CCOC(=O)c1c(n(c(=S)s1)C)NC(=O)c2ccccc2C
InChi [?]:
InChI=1/C15H16N2O3S2/c1-4-20-14(19)11-12(17(3)15(21)22-11)16-13(18)10-8-6-5-7-9(10)2/h5-8H,4H2,1-3H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,22,12,2,19,18,20,17,21,16,6,7,14,4,9,13,8,15,5,3,10,11/rA:22nCCOCOCCNCSSCNCOCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s6s9;s8;s7;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H16N2O3S2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.7973
Area:522.423
Solvation:-2.26333
Coulombic:-49.8211
Bond Count [?]
All:23
Single:16
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:336.431
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.67
LogP (Chemaxon):2.99

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